SCHEMBL5566899

SCHEMBL5566899

COCCOCc1cc(C(=O)O)ccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 12/20 0.47
KDM5C P41229 4/20 0.47
KDM6B O15054 3/20 0.47
KDM2A Q9Y2K7 3/20 0.47
KDM3A Q9Y4C1 3/20 0.47
KDM4E B2RXH2 3/20 0.47
KDM5A P29375 7/20 0.44
KDM5B Q9UGL1 7/20 0.44
KDM4A O75164 2/20 0.44
KDM4D Q6B0I6 2/20 0.44
ALDH1A1 P00352 2/20 0.44
TET3 O43151 1/20 0.44
BBOX1 O75936 1/20 0.44
MAPT P10636 1/20 0.44
ASPH Q12797 1/20 0.44
TET2 Q6N021 1/20 0.44
ALKBH5 Q6P6C2 1/20 0.44
KDM7A Q6ZMT4 1/20 0.44
KDM8 Q8N371 1/20 0.44
TET1 Q8NFU7 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17820831 0.86 KDM4C (0.53) KDM4CKDM5CKDM6BKDM2AKDM3A
SCHEMBL5313772 0.81 KDM4C (0.41) KDM4CKDM5CKDM6BKDM2AKDM3A
SCHEMBL9517033 0.78 KDM4C (0.52) KDM4CKDM5CKDM6BKDM2AKDM3A
SCHEMBL2585341 0.77 KDM4C (0.50) KDM4CKDM5CKDM6BKDM2AKDM3A
SCHEMBL30464945 0.77 KDM4C (0.50) KDM4CKDM5CKDM6BKDM2AKDM3A
SCHEMBL5567317 0.77 ALDH1A1 (0.55) KDM4CKDM5CKDM6BKDM2AKDM3A
SCHEMBL5566475 0.75 KDM4C (0.46) KDM4CKDM5CKDM6BKDM2AKDM3A
SCHEMBL12782250 0.75 S1PR4 (0.38) KDM4CKDM4EALDH1A1MAPT
SCHEMBL17442671 0.75 KDM4D (0.47) KDM4CKDM5CKDM6BKDM2AKDM3A
SCHEMBL28162381 0.74 KDM4C (0.52) KDM4CKDM5CKDM6BKDM2AKDM3A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1615919-B1 7-([1,4]DIOXAN-2-YL)-BENZOTHIAZOLE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS HOFFMANN LA ROCHE (CH) 2007-08-22 EP disclosed
CN-1774437-A 7-([1,4]dioxan-2-yl)-benzothiazole derivatives as adenosine receptor ligands HOFFMANN LA ROCHE (CH) 2006-05-17 CN disclosed
EP-1615919-A1 7-([1,4]DIOXAN-2-YL)-BENZOTHIAZOLE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2006-01-18 EP disclosed
US-6872833-B2 Adenosine receptor ligands HOFFMANN-LA ROCHE INC. (US) 2005-03-29 US disclosed
WO-2004089949-A1 7-([1,4]DIOXAN-2-YL)-BENZOTHIAZOLE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2004-10-21 WO disclosed
US-20040204584-A1 ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2004-10-14 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040204584-A1 ADENOSINE RECEPTOR LIGANDS ADORA1, ADORA2A, ADORA3 KDM4C 4701/4885KDM5C 4283/4885KDM6B 3930/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.